SCHEMBL950493

SCHEMBL950493

CC(C)(C)OC(=O)N1CCC(N2CN3CN(CO[Si](C)(C)C(C)(C)C)C=C3C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
GPR119 Q8TDV5 10/20 0.39
HCAR1 Q9BXC0 1/20 0.37
FPR2 P25090 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
BACE1 P56817 1/20 0.36
USP30 Q70CQ3 1/20 0.36
FAAH O00519 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL949365 0.89 TP53 (0.31) TP53
SCHEMBL947634 0.85 TP53 (0.48) TP53GPR119HCAR1FPR2KDM4E
SCHEMBL948094 0.85 TP53 (0.48) TP53GPR119HCAR1FPR2KDM4E
SCHEMBL948890 0.84 TP53 (0.47) TP53GPR119HCAR1FPR2KDM4E
SCHEMBL947606 0.83 TP53 (0.31) TP53
SCHEMBL948691 0.79 EPHX1 (0.47) TP53GPR119HCAR1FPR2KDM4E
SCHEMBL948473 0.79 TP53 (0.40) TP53GPR119FPR2KDM4EMAPT
SCHEMBL948340 0.78 TP53 (0.39) TP53GPR119HCAR1FPR2KDM4E
SCHEMBL948909 0.78 TP53 (0.39) TP53GPR119HCAR1FPR2KDM4E
SCHEMBL949701 0.78 TP53 (0.41) TP53GPR119HCAR1FPR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 TP53 4661/4885GPR119 1327/4885HCAR1 130/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 TP53 4591/4885GPR119 1118/4885HCAR1 215/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.